4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide

C11H18N2O2S2 — CID 71879328

IUPAC4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCCCc1nc(CN2CCS(=O)(=O)CC2)cs1
InChIInChI=1S/C11H18N2O2S2/c1-2-3-11-12-10(9-16-11)8-13-4-6-17(14,15)7-5-13/h9H,2-8H2,1H3
InChIKeyCNUXPIAIHQBWBQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.33
Rot. Bonds4

About 4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide

4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 71879328) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID71879328
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCCCc1nc(CN2CCS(=O)(=O)CC2)cs1
InChIInChI=1S/C11H18N2O2S2/c1-2-3-11-12-10(9-16-11)8-13-4-6-17(14,15)7-5-13/h9H,2-8H2,1H3
InChIKeyCNUXPIAIHQBWBQ-UHFFFAOYSA-N
XLogP1.33
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699
[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 165448285
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920780
N,N-diethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 86870585
N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride
CID 119922529
4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-propyl-1,3-thiazole
CID 63874067
N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 63848766
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 43440901
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628440
N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 62545261
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910148
furan-2-yl-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 134052464

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide (CID 71879328) is 4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide is CCCc1nc(CN2CCS(=O)(=O)CC2)cs1.
What is the InChIKey of 4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is CNUXPIAIHQBWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-2-3-11-12-10(9-16-11)8-13-4-6-17(14,15)7-5-13/h9H,2-8H2,1H3.
What are the key properties of 4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide?
4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 274.41 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 71879328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).